1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol

C14H19FO — CID 107128199

IUPAC1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)CC2CCC2)cc1F
InChIInChI=1S/C14H19FO/c1-10-6-7-12(8-13(10)15)14(2,16)9-11-4-3-5-11/h6-8,11,16H,3-5,9H2,1-2H3
InChIKeyCORWMFUFGADJGV-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.53
Rot. Bonds3

About 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol

1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol (PubChem CID 107128199) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol
PubChem CID107128199
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)CC2CCC2)cc1F
InChIInChI=1S/C14H19FO/c1-10-6-7-12(8-13(10)15)14(2,16)9-11-4-3-5-11/h6-8,11,16H,3-5,9H2,1-2H3
InChIKeyCORWMFUFGADJGV-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 113490170
2-(4-tert-butylphenyl)-1-cyclobutylpropan-2-ol
CID 113490168
(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051317
(1S)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051318
2-(4-chlorophenyl)-1-cyclopentylpropan-2-ol
CID 65144991
1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
CID 113490189
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
2-(3-fluoro-4-methylphenyl)hept-5-yn-2-ol
CID 104809630
1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114601488
4-(1-cyclohexyl-2-hydroxypropan-2-yl)benzonitrile
CID 113318956
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol (CID 107128199) is 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol is Cc1ccc(C(C)(O)CC2CCC2)cc1F.
What is the InChIKey of 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol?
The InChIKey is CORWMFUFGADJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10-6-7-12(8-13(10)15)14(2,16)9-11-4-3-5-11/h6-8,11,16H,3-5,9H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol?
1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol has a molecular weight of 222.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 107128199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).